3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine

C15H26F3N — CID 64746000

IUPAC3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESCC1CCC(NC2CCCC(C(F)(F)F)C2)CC1C
InChIInChI=1S/C15H26F3N/c1-10-6-7-14(8-11(10)2)19-13-5-3-4-12(9-13)15(16,17)18/h10-14,19H,3-9H2,1-2H3
InChIKeyNDACQZRSPDIKCR-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.52
Rot. Bonds2

About 3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine

3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (PubChem CID 64746000) has the molecular formula C15H26F3N and a molecular weight of 277.37 g/mol. Its IUPAC name is 3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
PubChem CID64746000
Molecular FormulaC15H26F3N
Molecular Weight277.37 g/mol
Exact Mass277.20
IUPAC Name3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESCC1CCC(NC2CCCC(C(F)(F)F)C2)CC1C
InChIInChI=1S/C15H26F3N/c1-10-6-7-14(8-11(10)2)19-13-5-3-4-12(9-13)15(16,17)18/h10-14,19H,3-9H2,1-2H3
InChIKeyNDACQZRSPDIKCR-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (CID 64746000) is 3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is CC1CCC(NC2CCCC(C(F)(F)F)C2)CC1C.
What is the InChIKey of 3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The InChIKey is NDACQZRSPDIKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N/c1-10-6-7-14(8-11(10)2)19-13-5-3-4-12(9-13)15(16,17)18/h10-14,19H,3-9H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 64746000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).